3-methyl-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)butanamide
Chemical Structure Depiction of
3-methyl-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)butanamide
3-methyl-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)butanamide
Compound characteristics
| Compound ID: | 0319-0084 |
| Compound Name: | 3-methyl-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)butanamide |
| Molecular Weight: | 457.76 |
| Molecular Formula: | C15 H19 Cl3 N4 O4 S |
| Smiles: | CC(C)CC(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1[N+]([O-])=O)OC)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5151 |
| logD: | 4.3715 |
| logSw: | -4.7231 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.344 |
| InChI Key: | ANTBVTMDMVPRNP-ZDUSSCGKSA-N |